N-cyclohexyl-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-cyclohexyl-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0732 |
| Compound Name: | N-cyclohexyl-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C23 H24 F N3 O S |
| Smiles: | C1CCC(CC1)NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5996 |
| logD: | 4.585 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.386 |
| InChI Key: | JQSSPPCUPFZVCS-UHFFFAOYSA-N |